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***  withca_cuoff12_2  ***

elNémo ID: 210113080255111230

Job options:

ID        	=	 210113080255111230
JOBID     	=	 withca_cuoff12_2
USERID    	=	 unknown
PRIVAT    	=	 0

NMODES    	=	 5
DQMIN     	=	 -100
DQMAX     	=	 100
DQSTEP    	=	 20
DOGRAPHS  	=	 on

DOPROJMODS	=	 0
DORMSD    	=	 0

NRBL      	=	 0
CUTOFF    	=	 12
CAONLY    	=	 0


Input data for this run:

HEADER withca_cuoff12_2

REMARK    GENERATED BY TRJCONV
TITLE     Protein in water t= 700000.00000 step= 350000000
REMARK    THIS IS A SIMULATION BOX
CRYST1   89.269   89.269   89.269  60.00  60.00  90.00 P 1           1
MODEL        1
ATOM      1  CA  ALA     2     -48.590 104.680  89.720  1.00  0.00           C
ATOM      2  CA  CYS     3     -51.360 102.020  89.640  1.00  0.00           C
ATOM      3  CA  PRO     4     -50.840  98.780  87.500  1.00  0.00           C
ATOM      4  CA  LEU     5     -53.100  99.620  84.480  1.00  0.00           C
ATOM      5  CA  GLU     6     -52.140 103.230  84.070  1.00  0.00           C
ATOM      6  CA  LYS     7     -48.420 102.190  84.460  1.00  0.00           C
ATOM      7  CA  ALA     8     -48.990  99.470  81.810  1.00  0.00           C
ATOM      8  CA  LEU     9     -50.460 101.720  79.040  1.00  0.00           C
ATOM      9  CA  ASP    10     -47.270 103.950  79.250  1.00  0.00           C
ATOM     10  CA  VAL    11     -45.300 100.790  77.930  1.00  0.00           C
ATOM     11  CA  MET    12     -48.120 100.100  75.470  1.00  0.00           C
ATOM     12  CA  VAL    13     -47.960 103.650  74.000  1.00  0.00           C
ATOM     13  CA  SER    14     -44.090 103.730  74.340  1.00  0.00           C
ATOM     14  CA  THR    15     -44.000 100.590  72.070  1.00  0.00           C
ATOM     15  CA  PHE    16     -45.660 102.210  69.160  1.00  0.00           C
ATOM     16  CA  HIS    17     -43.010 105.010  69.170  1.00  0.00           C
ATOM     17  CA  LYS    18     -40.180 102.470  69.840  1.00  0.00           C
ATOM     18  CA  TYR    19     -40.900 100.940  66.420  1.00  0.00           C
ATOM     19  CA  SER    20     -42.900 103.450  64.490  1.00  0.00           C
ATOM     20  CA  GLY    21     -39.740 105.280  63.210  1.00  0.00           C
ATOM     21  CA  LYS    22     -37.050 102.600  62.470  1.00  0.00           C
ATOM     22  CA  GLU    23     -37.950 102.810  58.760  1.00  0.00           C
ATOM     23  CA  GLY    24     -39.580 105.350  56.470  1.00  0.00           C
ATOM     24  CA  ASP    25     -41.870 107.950  58.160  1.00  0.00           C
ATOM     25  CA  LYS    26     -41.690 108.440  62.020  1.00  0.00           C
ATOM     26  CA  PHE    27     -45.510 108.520  62.350  1.00  0.00           C
ATOM     27  CA  LYS    28     -46.830 104.920  61.210  1.00  0.00           C
ATOM     28  CA  LEU    29     -45.790 101.190  61.790  1.00  0.00           C
ATOM     29  CA  ASN    30     -45.130  99.190  58.580  1.00  0.00           C
ATOM     30  CA  LYS    31     -44.730  95.280  58.200  1.00  0.00           C
ATOM     31  CA  SER    32     -40.990  95.410  59.190  1.00  0.00           C
ATOM     32  CA  GLU    33     -41.410  97.610  62.310  1.00  0.00           C
ATOM     33  CA  LEU    34     -44.190  95.230  63.330  1.00  0.00           C
ATOM     34  CA  LYS    35     -41.690  92.440  62.560  1.00  0.00           C
ATOM     35  CA  GLU    36     -39.180  94.170  64.870  1.00  0.00           C
ATOM     36  CA  LEU    37     -41.840  94.540  67.680  1.00  0.00           C
ATOM     37  CA  LEU    38     -43.090  90.970  67.330  1.00  0.00           C
ATOM     38  CA  THR    39     -39.440  89.580  67.710  1.00  0.00           C
ATOM     39  CA  ARG    40     -37.620  91.890  70.370  1.00  0.00           C
ATOM     40  CA  GLU    41     -40.760  93.120  72.240  1.00  0.00           C
ATOM     41  CA  LEU    42     -43.540  90.440  72.300  1.00  0.00           C
ATOM     42  CA  PRO    43     -41.500  87.240  71.650  1.00  0.00           C
ATOM     43  CA  SER    44     -43.990  84.720  73.410  1.00  0.00           C
ATOM     44  CA  PHE    45     -46.720  84.990  70.630  1.00  0.00           C
ATOM     45  CA  LEU    46     -45.980  85.430  66.820  1.00  0.00           C
ATOM     46  CA  GLY    47     -42.160  86.220  66.480  1.00  0.00           C
ATOM     47  CA  LYS    48     -41.200  82.520  65.970  1.00  0.00           C
ATOM     48  CA  ARG    49     -43.650  82.420  62.980  1.00  0.00           C
ATOM     49  CA  THR    50     -43.080  83.170  59.240  1.00  0.00           C
ATOM     50  CA  ASP    51     -46.480  82.230  57.670  1.00  0.00           C
ATOM     51  CA  GLU    52     -49.040  84.540  55.980  1.00  0.00           C
ATOM     52  CA  ALA    53     -51.710  84.000  58.700  1.00  0.00           C
ATOM     53  CA  ALA    54     -49.570  85.290  61.770  1.00  0.00           C
ATOM     54  CA  PHE    55     -49.710  89.060  61.360  1.00  0.00           C
ATOM     55  CA  GLN    56     -49.920  90.170  57.660  1.00  0.00           C
ATOM     56  CA  LYS    57     -53.830  90.060  57.650  1.00  0.00           C
ATOM     57  CA  LEU    58     -54.280  91.980  60.890  1.00  0.00           C
ATOM     58  CA  MET    59     -52.230  94.760  59.100  1.00  0.00           C
ATOM     59  CA  SER    60     -55.100  95.200  56.530  1.00  0.00           C
ATOM     60  CA  ASN    61     -58.490  94.220  58.180  1.00  0.00           C
ATOM     61  CA  LEU    62     -57.740  97.070  60.610  1.00  0.00           C
ATOM     62  CA  ASP    63     -56.810  99.640  57.910  1.00  0.00           C
ATOM     63  CA  SER    64     -58.940 102.820  57.890  1.00  0.00           C
ATOM     64  CA  ASN    65     -57.430 104.680  54.920  1.00  0.00           C
ATOM     65  CA  ARG    66     -56.010 102.300  52.140  1.00  0.00           C
ATOM     66  CA  ASP    67     -52.240 102.180  52.760  1.00  0.00           C
ATOM     67  CA  ASN    68     -51.300  98.920  54.610  1.00  0.00           C
ATOM     68  CA  GLU    69     -49.410 100.900  57.290  1.00  0.00           C
ATOM     69  CA  VAL    70     -50.710 100.690  60.860  1.00  0.00           C
ATOM     70  CA  ASP    71     -51.590 104.160  62.290  1.00  0.00           C
ATOM     71  CA  PHE    72     -51.550 104.870  65.980  1.00  0.00           C
ATOM     72  CA  GLN    73     -55.420 104.110  66.260  1.00  0.00           C
ATOM     73  CA  GLU    74     -55.150 100.870  64.190  1.00  0.00           C
ATOM     74  CA  TYR    75     -52.250  99.620  66.530  1.00  0.00           C
ATOM     75  CA  CYS    76     -54.490 100.330  69.560  1.00  0.00           C
ATOM     76  CA  VAL    77     -56.920  97.590  68.150  1.00  0.00           C
ATOM     77  CA  PHE    78     -53.900  95.310  66.980  1.00  0.00           C
ATOM     78  CA  LEU    79     -52.650  95.040  70.640  1.00  0.00           C
ATOM     79  CA  SER    80     -56.250  94.650  72.050  1.00  0.00           C
ATOM     80  CA  CYS    81     -56.930  91.690  69.610  1.00  0.00           C
ATOM     81  CA  ILE    82     -53.740  90.050  71.170  1.00  0.00           C
ATOM     82  CA  ALA    83     -55.400  90.550  74.550  1.00  0.00           C
ATOM     83  CA  MET    84     -58.250  88.110  73.500  1.00  0.00           C
ATOM     84  CA  MET    85     -55.550  85.720  72.380  1.00  0.00           C
ATOM     85  CA  CYS    86     -53.560  86.210  75.590  1.00  0.00           C
ATOM     86  CA  ASN    87     -56.760  85.710  77.740  1.00  0.00           C
ATOM     87  CA  GLU    88     -57.140  82.290  76.130  1.00  0.00           C
ATOM     88  CA  PHE    89     -53.820  81.290  77.750  1.00  0.00           C
ATOM     89  CA  PHE    90     -55.380  82.580  81.090  1.00  0.00           C
ATOM     90  CA  GLU    91     -59.000  81.220  80.970  1.00  0.00           C
ATOM     91  CA  GLY    92     -60.910  81.780  77.650  1.00  0.00           C
ATOM     92  CA  PHE    93     -64.550  82.090  76.640  1.00  0.00           C
ATOM     93  CA  PRO    94     -67.300  80.480  74.530  1.00  0.00           C
ATOM     94  CA  ALA     2     -41.240  87.680  80.270  1.00  0.00           C
ATOM     95  CA  CYS     3     -40.500  91.030  78.310  1.00  0.00           C
ATOM     96  CA  PRO     4     -42.120  94.200  79.590  1.00  0.00           C
ATOM     97  CA  LEU     5     -44.840  94.490  77.100  1.00  0.00           C
ATOM     98  CA  GLU     6     -45.630  90.820  77.830  1.00  0.00           C
ATOM     99  CA  LYS     7     -45.960  91.690  81.550  1.00  0.00           C
ATOM    100  CA  ALA     8     -48.040  94.740  80.660  1.00  0.00           C
ATOM    101  CA  LEU     9     -50.320  92.660  78.380  1.00  0.00           C
ATOM    102  CA  ASP    10     -50.940  90.190  81.210  1.00  0.00           C
ATOM    103  CA  VAL    11     -51.720  93.430  83.280  1.00  0.00           C
ATOM    104  CA  MET    12     -54.160  94.610  80.470  1.00  0.00           C
ATOM    105  CA  VAL    13     -55.890  91.110  80.530  1.00  0.00           C
ATOM    106  CA  SER    14     -56.030  90.140  84.180  1.00  0.00           C
ATOM    107  CA  THR    15     -57.380  93.590  85.150  1.00  0.00           C
ATOM    108  CA  PHE    16     -60.690  92.150  83.740  1.00  0.00           C
ATOM    109  CA  HIS    17     -60.680  89.130  86.070  1.00  0.00           C
ATOM    110  CA  LYS    18     -59.690  91.320  89.110  1.00  0.00           C
ATOM    111  CA  TYR    19     -62.990  93.370  89.140  1.00  0.00           C
ATOM    112  CA  SER    20     -65.290  91.430  86.580  1.00  0.00           C
ATOM    113  CA  GLY    21     -67.110  89.670  89.410  1.00  0.00           C
ATOM    114  CA  LYS    22     -66.590  92.300  92.190  1.00  0.00           C
ATOM    115  CA  GLU    23     -70.350  92.820  92.470  1.00  0.00           C
ATOM    116  CA  GLY    24     -70.790  89.220  91.330  1.00  0.00           C
ATOM    117  CA  ASP    25     -71.270  87.850  87.700  1.00  0.00           C
ATOM    118  CA  LYS    26     -67.750  87.480  86.120  1.00  0.00           C
ATOM    119  CA  PHE    27     -68.760  87.490  82.380  1.00  0.00           C
ATOM    120  CA  LYS    28     -68.690  91.310  82.430  1.00  0.00           C
ATOM    121  CA  LEU    29     -67.730  94.650  84.050  1.00  0.00           C
ATOM    122  CA  ASN    30     -70.650  96.820  85.430  1.00  0.00           C
ATOM    123  CA  LYS    31     -70.730 100.540  86.220  1.00  0.00           C
ATOM    124  CA  SER    32     -69.650 100.260  89.920  1.00  0.00           C
ATOM    125  CA  GLU    33     -66.730  97.860  88.740  1.00  0.00           C
ATOM    126  CA  LEU    34     -65.680 100.320  85.950  1.00  0.00           C
ATOM    127  CA  LYS    35     -65.770 103.270  88.470  1.00  0.00           C
ATOM    128  CA  GLU    36     -63.400 101.350  90.870  1.00  0.00           C
ATOM    129  CA  LEU    37     -61.230  99.950  87.910  1.00  0.00           C
ATOM    130  CA  LEU    38     -60.800 103.670  86.640  1.00  0.00           C
ATOM    131  CA  THR    39     -59.970 104.690  90.260  1.00  0.00           C
ATOM    132  CA  ARG    40     -57.850 101.800  91.840  1.00  0.00           C
ATOM    133  CA  GLU    41     -56.300 100.510  88.610  1.00  0.00           C
ATOM    134  CA  LEU    42     -56.470 103.330  85.910  1.00  0.00           C
ATOM    135  CA  PRO    43     -56.900 106.690  87.740  1.00  0.00           C
ATOM    136  CA  SER    44     -56.510 109.000  84.720  1.00  0.00           C
ATOM    137  CA  PHE    45     -60.210 108.510  83.560  1.00  0.00           C
ATOM    138  CA  LEU    46     -62.100 109.030  86.890  1.00  0.00           C
ATOM    139  CA  GLY    47     -60.070 109.080  90.240  1.00  0.00           C
ATOM    140  CA  LYS    48     -57.430 111.630  89.040  1.00  0.00           C
ATOM    141  CA  ARG    49     -59.950 114.270  87.770  1.00  0.00           C
ATOM    142  CA  THR    50     -62.750 116.430  89.220  1.00  0.00           C
ATOM    143  CA  ASP    51     -65.710 114.930  87.280  1.00  0.00           C
ATOM    144  CA  GLU    52     -67.410 112.210  85.180  1.00  0.00           C
ATOM    145  CA  ALA    53     -66.960 113.890  81.760  1.00  0.00           C
ATOM    146  CA  ALA    54     -64.020 111.590  80.690  1.00  0.00           C
ATOM    147  CA  PHE    55     -66.020 108.440  81.620  1.00  0.00           C
ATOM    148  CA  GLN    56     -69.020 109.830  79.720  1.00  0.00           C
ATOM    149  CA  LYS    57     -66.900 110.420  76.490  1.00  0.00           C
ATOM    150  CA  LEU    58     -65.040 107.170  76.870  1.00  0.00           C
ATOM    151  CA  MET    59     -68.530 105.540  76.960  1.00  0.00           C
ATOM    152  CA  SER    60     -69.930 107.480  73.900  1.00  0.00           C
ATOM    153  CA  ASN    61     -67.140 106.000  71.750  1.00  0.00           C
ATOM    154  CA  LEU    62     -66.840 102.460  73.380  1.00  0.00           C
ATOM    155  CA  ASP    63     -70.540 101.490  72.660  1.00  0.00           C
ATOM    156  CA  SER    64     -73.540 102.710  70.550  1.00  0.00           C
ATOM    157  CA  ASN    65     -75.900 101.390  73.370  1.00  0.00           C
ATOM    158  CA  ARG    66     -76.190 103.090  76.870  1.00  0.00           C
ATOM    159  CA  ASP    67     -75.820 100.040  79.080  1.00  0.00           C
ATOM    160  CA  ASN    68     -72.690 101.120  81.100  1.00  0.00           C
ATOM    161  CA  GLU    69     -71.670  97.350  80.990  1.00  0.00           C
ATOM    162  CA  VAL    70     -68.340  95.960  79.280  1.00  0.00           C
ATOM    163  CA  ASP    71     -68.140  92.220  78.250  1.00  0.00           C
ATOM    164  CA  PHE    72     -64.780  90.840  76.930  1.00  0.00           C
ATOM    165  CA  GLN    73     -65.480  91.480  73.160  1.00  0.00           C
ATOM    166  CA  GLU    74     -66.250  95.050  74.210  1.00  0.00           C
ATOM    167  CA  TYR    75     -63.330  94.920  76.770  1.00  0.00           C
ATOM    168  CA  CYS    76     -60.980  94.550  73.640  1.00  0.00           C
ATOM    169  CA  VAL    77     -62.710  97.750  72.220  1.00  0.00           C
ATOM    170  CA  PHE    78     -62.130  99.310  75.740  1.00  0.00           C
ATOM    171  CA  LEU    79     -58.240  98.570  75.730  1.00  0.00           C
ATOM    172  CA  SER    80     -58.050 100.590  72.450  1.00  0.00           C
ATOM    173  CA  CYS    81     -60.050 103.660  73.450  1.00  0.00           C
ATOM    174  CA  ILE    82     -58.240 104.050  76.860  1.00  0.00           C
ATOM    175  CA  ALA    83     -54.810 103.620  75.180  1.00  0.00           C
ATOM    176  CA  MET    84     -55.800 106.440  72.710  1.00  0.00           C
ATOM    177  CA  MET    85     -57.020 108.520  75.680  1.00  0.00           C
ATOM    178  CA  CYS    86     -53.470 107.860  77.220  1.00  0.00           C
ATOM    179  CA  ASN    87     -51.690 108.930  73.910  1.00  0.00           C
ATOM    180  CA  GLU    88     -52.510 112.650  74.790  1.00  0.00           C
ATOM    181  CA  PHE    89     -50.400 112.500  78.080  1.00  0.00           C
ATOM    182  CA  PHE    90     -47.770 109.750  77.660  1.00  0.00           C
ATOM    183  CA  GLU    91     -44.940 110.810  75.220  1.00  0.00           C
ATOM    184  CA  GLY    92     -41.880 109.180  73.570  1.00  0.00           C
ATOM    185  CA  PHE    93     -40.010 106.000  74.970  1.00  0.00           C
ATOM    186  CA  PRO    94     -37.060 105.090  77.410  1.00  0.00           C
TER
ENDMDL



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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.